USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 535 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 TYR OH : rot -20:sc= 2.11 USER MOD Set 1.2: A 36 SER OG : rot 67:sc= 1.02 USER MOD Set 2.1: A 29 HIS : no HE2:sc= -0.323 K(o=-0.46,f=-4.8!) USER MOD Set 2.2: A 61 THR OG1 : rot 80:sc= -0.14 USER MOD Set 3.1: A 14 THR OG1 : rot 180:sc= 0.89 USER MOD Set 3.2: A 18 CYS SG : rot 106:sc= 1.19 USER MOD Single : A 13 MET CE :methyl -170:sc= -0.177 (180deg=-0.575) USER MOD Single : A 15 CYS SG : rot 180:sc= -0.149 USER MOD Single : A 17 SER OG : rot 180:sc= 0.111 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.288 F(o=-1.4,f=-0.29) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -37:sc= -0.0524 USER MOD Single : A 27 THR OG1 : rot -8:sc= 0.957 USER MOD Single : A 28 LYS NZ :NH3+ -175:sc= -0.155 (180deg=-0.196) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.0238 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0965 USER MOD Single : A 42 ASN : amide:sc= 1.84 K(o=1.8,f=-9.1!) USER MOD Single : A 43 LYS NZ :NH3+ -171:sc= 1.27 (180deg=1.01) USER MOD Single : A 45 HIS : no HD1:sc= -1.29 X(o=-1.3,f=-1.3) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 130:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 1.11 K(o=1.1,f=-4.8!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.368 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 8.958 -5.577 3.415 1.00 0.98 N ATOM 47 CA VAL A 5 8.697 -4.162 3.683 1.00 0.89 C ATOM 48 C VAL A 5 8.739 -3.342 2.385 1.00 0.88 C ATOM 49 O VAL A 5 9.651 -2.549 2.152 1.00 1.35 O ATOM 50 CB VAL A 5 9.631 -3.601 4.777 1.00 1.32 C ATOM 51 CG1 VAL A 5 9.185 -2.197 5.214 1.00 1.76 C ATOM 52 CG2 VAL A 5 9.610 -4.493 6.023 1.00 2.33 C ATOM 0 HA VAL A 5 7.686 -4.075 4.082 1.00 0.89 H new ATOM 0 HB VAL A 5 10.633 -3.566 4.348 1.00 1.32 H new ATOM 0 HG11 VAL A 5 9.859 -1.825 5.985 1.00 1.76 H new ATOM 0 HG12 VAL A 5 9.208 -1.525 4.356 1.00 1.76 H new ATOM 0 HG13 VAL A 5 8.171 -2.244 5.611 1.00 1.76 H new ATOM 0 HG21 VAL A 5 10.276 -4.077 6.779 1.00 2.33 H new ATOM 0 HG22 VAL A 5 8.596 -4.541 6.419 1.00 2.33 H new ATOM 0 HG23 VAL A 5 9.944 -5.496 5.758 1.00 2.33 H new ATOM 62 N LEU A 6 7.731 -3.520 1.531 1.00 0.98 N ATOM 63 CA LEU A 6 7.556 -2.655 0.376 1.00 0.98 C ATOM 64 C LEU A 6 7.125 -1.285 0.891 1.00 0.92 C ATOM 65 O LEU A 6 6.378 -1.208 1.865 1.00 1.41 O ATOM 66 CB LEU A 6 6.497 -3.263 -0.557 1.00 1.18 C ATOM 67 CG LEU A 6 6.054 -2.382 -1.737 1.00 1.61 C ATOM 68 CD1 LEU A 6 7.196 -2.165 -2.738 1.00 1.64 C ATOM 69 CD2 LEU A 6 4.884 -3.073 -2.446 1.00 2.86 C ATOM 0 H LEU A 6 7.028 -4.254 1.621 1.00 0.98 H new ATOM 0 HA LEU A 6 8.480 -2.554 -0.194 1.00 0.98 H new ATOM 0 HB2 LEU A 6 6.887 -4.200 -0.955 1.00 1.18 H new ATOM 0 HB3 LEU A 6 5.617 -3.510 0.037 1.00 1.18 H new ATOM 0 HG LEU A 6 5.756 -1.406 -1.352 1.00 1.61 H new ATOM 0 HD11 LEU A 6 6.847 -1.538 -3.558 1.00 1.64 H new ATOM 0 HD12 LEU A 6 8.031 -1.675 -2.237 1.00 1.64 H new ATOM 0 HD13 LEU A 6 7.523 -3.128 -3.131 1.00 1.64 H new ATOM 0 HD21 LEU A 6 4.556 -2.462 -3.287 1.00 2.86 H new ATOM 0 HD22 LEU A 6 5.205 -4.049 -2.810 1.00 2.86 H new ATOM 0 HD23 LEU A 6 4.058 -3.200 -1.746 1.00 2.86 H new ATOM 81 N GLU A 7 7.539 -0.214 0.213 1.00 0.89 N ATOM 82 CA GLU A 7 6.870 1.066 0.327 1.00 0.89 C ATOM 83 C GLU A 7 6.493 1.538 -1.068 1.00 0.93 C ATOM 84 O GLU A 7 7.170 1.213 -2.042 1.00 1.38 O ATOM 85 CB GLU A 7 7.731 2.106 1.047 1.00 0.89 C ATOM 86 CG GLU A 7 8.171 1.665 2.447 1.00 0.94 C ATOM 87 CD GLU A 7 8.669 2.860 3.246 1.00 1.15 C ATOM 88 OE1 GLU A 7 9.413 3.676 2.658 1.00 1.89 O ATOM 89 OE2 GLU A 7 8.200 3.035 4.389 1.00 2.21 O ATOM 0 H GLU A 7 8.338 -0.216 -0.421 1.00 0.89 H new ATOM 0 HA GLU A 7 5.973 0.943 0.934 1.00 0.89 H new ATOM 0 HB2 GLU A 7 8.615 2.315 0.445 1.00 0.89 H new ATOM 0 HB3 GLU A 7 7.172 3.038 1.126 1.00 0.89 H new ATOM 0 HG2 GLU A 7 7.336 1.194 2.966 1.00 0.94 H new ATOM 0 HG3 GLU A 7 8.960 0.917 2.369 1.00 0.94 H new ATOM 96 N LEU A 8 5.407 2.298 -1.147 1.00 0.62 N ATOM 97 CA LEU A 8 4.974 2.973 -2.351 1.00 0.62 C ATOM 98 C LEU A 8 4.568 4.384 -1.954 1.00 0.65 C ATOM 99 O LEU A 8 3.680 4.556 -1.119 1.00 0.67 O ATOM 100 CB LEU A 8 3.894 2.163 -3.092 1.00 0.60 C ATOM 101 CG LEU A 8 2.765 1.539 -2.249 1.00 0.64 C ATOM 102 CD1 LEU A 8 1.512 2.416 -2.216 1.00 1.61 C ATOM 103 CD2 LEU A 8 2.361 0.208 -2.885 1.00 1.49 C ATOM 0 H LEU A 8 4.791 2.462 -0.351 1.00 0.62 H new ATOM 0 HA LEU A 8 5.776 3.051 -3.085 1.00 0.62 H new ATOM 0 HB2 LEU A 8 3.436 2.815 -3.836 1.00 0.60 H new ATOM 0 HB3 LEU A 8 4.391 1.359 -3.635 1.00 0.60 H new ATOM 0 HG LEU A 8 3.143 1.422 -1.233 1.00 0.64 H new ATOM 0 HD11 LEU A 8 0.746 1.933 -1.610 1.00 1.61 H new ATOM 0 HD12 LEU A 8 1.758 3.386 -1.784 1.00 1.61 H new ATOM 0 HD13 LEU A 8 1.138 2.555 -3.230 1.00 1.61 H new ATOM 0 HD21 LEU A 8 1.562 -0.247 -2.300 1.00 1.49 H new ATOM 0 HD22 LEU A 8 2.011 0.382 -3.903 1.00 1.49 H new ATOM 0 HD23 LEU A 8 3.221 -0.461 -2.906 1.00 1.49 H new ATOM 115 N VAL A 9 5.251 5.400 -2.493 1.00 0.92 N ATOM 116 CA VAL A 9 4.720 6.754 -2.414 1.00 1.05 C ATOM 117 C VAL A 9 3.451 6.772 -3.258 1.00 1.04 C ATOM 118 O VAL A 9 3.503 6.410 -4.430 1.00 1.12 O ATOM 119 CB VAL A 9 5.768 7.801 -2.836 1.00 1.24 C ATOM 120 CG1 VAL A 9 5.148 9.120 -3.322 1.00 1.41 C ATOM 121 CG2 VAL A 9 6.662 8.113 -1.628 1.00 1.32 C ATOM 0 H VAL A 9 6.146 5.311 -2.974 1.00 0.92 H new ATOM 0 HA VAL A 9 4.473 7.031 -1.389 1.00 1.05 H new ATOM 0 HB VAL A 9 6.328 7.374 -3.668 1.00 1.24 H new ATOM 0 HG11 VAL A 9 5.941 9.813 -3.604 1.00 1.41 H new ATOM 0 HG12 VAL A 9 4.512 8.926 -4.186 1.00 1.41 H new ATOM 0 HG13 VAL A 9 4.551 9.558 -2.522 1.00 1.41 H new ATOM 0 HG21 VAL A 9 7.410 8.854 -1.911 1.00 1.32 H new ATOM 0 HG22 VAL A 9 6.051 8.506 -0.815 1.00 1.32 H new ATOM 0 HG23 VAL A 9 7.160 7.201 -1.299 1.00 1.32 H new ATOM 131 N VAL A 10 2.312 7.136 -2.668 1.00 1.03 N ATOM 132 CA VAL A 10 1.008 7.051 -3.302 1.00 1.04 C ATOM 133 C VAL A 10 0.199 8.303 -2.977 1.00 1.01 C ATOM 134 O VAL A 10 0.210 8.763 -1.837 1.00 1.58 O ATOM 135 CB VAL A 10 0.295 5.753 -2.895 1.00 1.24 C ATOM 136 CG1 VAL A 10 0.033 5.652 -1.398 1.00 2.09 C ATOM 137 CG2 VAL A 10 -1.062 5.600 -3.581 1.00 2.45 C ATOM 0 H VAL A 10 2.276 7.505 -1.718 1.00 1.03 H new ATOM 0 HA VAL A 10 1.123 7.011 -4.385 1.00 1.04 H new ATOM 0 HB VAL A 10 0.984 4.968 -3.206 1.00 1.24 H new ATOM 0 HG11 VAL A 10 -0.473 4.711 -1.180 1.00 2.09 H new ATOM 0 HG12 VAL A 10 0.980 5.688 -0.860 1.00 2.09 H new ATOM 0 HG13 VAL A 10 -0.596 6.484 -1.082 1.00 2.09 H new ATOM 0 HG21 VAL A 10 -1.528 4.668 -3.262 1.00 2.45 H new ATOM 0 HG22 VAL A 10 -1.704 6.438 -3.309 1.00 2.45 H new ATOM 0 HG23 VAL A 10 -0.924 5.585 -4.662 1.00 2.45 H new ATOM 147 N ARG A 11 -0.499 8.855 -3.975 1.00 0.72 N ATOM 148 CA ARG A 11 -1.345 10.035 -3.816 1.00 0.89 C ATOM 149 C ARG A 11 -2.794 9.717 -4.196 1.00 0.74 C ATOM 150 O ARG A 11 -3.077 8.649 -4.738 1.00 0.77 O ATOM 151 CB ARG A 11 -0.751 11.199 -4.624 1.00 1.25 C ATOM 152 CG ARG A 11 0.540 11.649 -3.928 1.00 2.01 C ATOM 153 CD ARG A 11 1.218 12.857 -4.576 1.00 2.44 C ATOM 154 NE ARG A 11 2.343 13.280 -3.729 1.00 3.91 N ATOM 155 CZ ARG A 11 3.078 14.391 -3.854 1.00 4.95 C ATOM 156 NH1 ARG A 11 2.912 15.197 -4.907 1.00 4.95 N ATOM 157 NH2 ARG A 11 3.971 14.671 -2.900 1.00 6.51 N ATOM 0 H ARG A 11 -0.490 8.488 -4.927 1.00 0.72 H new ATOM 0 HA ARG A 11 -1.368 10.341 -2.770 1.00 0.89 H new ATOM 0 HB2 ARG A 11 -0.543 10.886 -5.647 1.00 1.25 H new ATOM 0 HB3 ARG A 11 -1.461 12.024 -4.681 1.00 1.25 H new ATOM 0 HG2 ARG A 11 0.314 11.888 -2.889 1.00 2.01 H new ATOM 0 HG3 ARG A 11 1.242 10.816 -3.917 1.00 2.01 H new ATOM 0 HD2 ARG A 11 1.573 12.600 -5.574 1.00 2.44 H new ATOM 0 HD3 ARG A 11 0.505 13.673 -4.691 1.00 2.44 H new ATOM 0 HE ARG A 11 2.591 12.657 -2.960 1.00 3.91 H new ATOM 0 HH11 ARG A 11 2.222 14.967 -5.622 1.00 4.95 H new ATOM 0 HH12 ARG A 11 3.476 16.042 -4.996 1.00 4.95 H new ATOM 0 HH21 ARG A 11 4.079 14.044 -2.102 1.00 6.51 H new ATOM 0 HH22 ARG A 11 4.545 15.511 -2.969 1.00 6.51 H new ATOM 171 N GLY A 12 -3.709 10.639 -3.870 1.00 0.79 N ATOM 172 CA GLY A 12 -5.144 10.527 -4.127 1.00 0.82 C ATOM 173 C GLY A 12 -5.970 10.518 -2.835 1.00 0.72 C ATOM 174 O GLY A 12 -7.167 10.785 -2.865 1.00 0.87 O ATOM 0 H GLY A 12 -3.459 11.511 -3.405 1.00 0.79 H new ATOM 0 HA2 GLY A 12 -5.464 11.359 -4.754 1.00 0.82 H new ATOM 0 HA3 GLY A 12 -5.340 9.612 -4.687 1.00 0.82 H new ATOM 178 N MET A 13 -5.342 10.211 -1.694 1.00 0.74 N ATOM 179 CA MET A 13 -6.004 10.194 -0.395 1.00 0.79 C ATOM 180 C MET A 13 -6.573 11.570 -0.044 1.00 1.07 C ATOM 181 O MET A 13 -5.819 12.511 0.195 1.00 1.60 O ATOM 182 CB MET A 13 -5.007 9.759 0.681 1.00 0.93 C ATOM 183 CG MET A 13 -4.665 8.269 0.598 1.00 0.91 C ATOM 184 SD MET A 13 -3.166 7.798 1.487 1.00 1.41 S ATOM 185 CE MET A 13 -1.925 8.473 0.367 1.00 1.31 C ATOM 0 H MET A 13 -4.353 9.966 -1.651 1.00 0.74 H new ATOM 0 HA MET A 13 -6.832 9.487 -0.442 1.00 0.79 H new ATOM 0 HB2 MET A 13 -4.093 10.344 0.582 1.00 0.93 H new ATOM 0 HB3 MET A 13 -5.421 9.979 1.665 1.00 0.93 H new ATOM 0 HG2 MET A 13 -5.503 7.694 0.992 1.00 0.91 H new ATOM 0 HG3 MET A 13 -4.553 7.992 -0.450 1.00 0.91 H new ATOM 0 HE1 MET A 13 -0.937 8.122 0.665 1.00 1.31 H new ATOM 0 HE2 MET A 13 -2.136 8.144 -0.651 1.00 1.31 H new ATOM 0 HE3 MET A 13 -1.951 9.562 0.409 1.00 1.31 H new ATOM 195 N THR A 14 -7.900 11.678 0.020 1.00 1.19 N ATOM 196 CA THR A 14 -8.594 12.903 0.376 1.00 1.54 C ATOM 197 C THR A 14 -8.548 13.153 1.886 1.00 1.35 C ATOM 198 O THR A 14 -8.395 14.291 2.323 1.00 2.19 O ATOM 199 CB THR A 14 -10.045 12.795 -0.111 1.00 2.40 C ATOM 200 OG1 THR A 14 -10.616 11.584 0.357 1.00 4.12 O ATOM 201 CG2 THR A 14 -10.110 12.804 -1.641 1.00 1.77 C ATOM 0 H THR A 14 -8.529 10.900 -0.179 1.00 1.19 H new ATOM 0 HA THR A 14 -8.100 13.749 -0.102 1.00 1.54 H new ATOM 0 HB THR A 14 -10.597 13.652 0.276 1.00 2.40 H new ATOM 0 HG1 THR A 14 -11.543 11.518 0.046 1.00 4.12 H new ATOM 0 HG21 THR A 14 -11.149 12.726 -1.961 1.00 1.77 H new ATOM 0 HG22 THR A 14 -9.682 13.733 -2.018 1.00 1.77 H new ATOM 0 HG23 THR A 14 -9.545 11.959 -2.034 1.00 1.77 H new ATOM 209 N CYS A 15 -8.749 12.102 2.688 1.00 1.29 N ATOM 210 CA CYS A 15 -9.033 12.218 4.114 1.00 1.61 C ATOM 211 C CYS A 15 -8.778 10.865 4.788 1.00 1.47 C ATOM 212 O CYS A 15 -8.570 9.872 4.090 1.00 1.93 O ATOM 213 CB CYS A 15 -10.500 12.652 4.277 1.00 2.09 C ATOM 214 SG CYS A 15 -10.811 13.241 5.955 1.00 3.34 S ATOM 0 H CYS A 15 -8.718 11.138 2.357 1.00 1.29 H new ATOM 0 HA CYS A 15 -8.387 12.959 4.585 1.00 1.61 H new ATOM 0 HB2 CYS A 15 -10.733 13.440 3.561 1.00 2.09 H new ATOM 0 HB3 CYS A 15 -11.159 11.813 4.053 1.00 2.09 H new ATOM 0 HG CYS A 15 -12.055 13.603 6.064 1.00 3.34 H new ATOM 220 N ALA A 16 -8.820 10.806 6.126 1.00 1.55 N ATOM 221 CA ALA A 16 -8.709 9.593 6.935 1.00 1.55 C ATOM 222 C ALA A 16 -9.546 8.434 6.380 1.00 1.36 C ATOM 223 O ALA A 16 -9.134 7.276 6.437 1.00 2.34 O ATOM 224 CB ALA A 16 -9.126 9.909 8.374 1.00 1.91 C ATOM 0 H ALA A 16 -8.938 11.643 6.696 1.00 1.55 H new ATOM 0 HA ALA A 16 -7.669 9.267 6.906 1.00 1.55 H new ATOM 0 HB1 ALA A 16 -9.045 9.008 8.982 1.00 1.91 H new ATOM 0 HB2 ALA A 16 -8.473 10.681 8.781 1.00 1.91 H new ATOM 0 HB3 ALA A 16 -10.157 10.263 8.385 1.00 1.91 H new ATOM 230 N SER A 17 -10.716 8.740 5.819 1.00 0.63 N ATOM 231 CA SER A 17 -11.527 7.777 5.100 1.00 0.57 C ATOM 232 C SER A 17 -10.678 6.989 4.096 1.00 0.55 C ATOM 233 O SER A 17 -10.656 5.766 4.129 1.00 0.73 O ATOM 234 CB SER A 17 -12.661 8.536 4.406 1.00 0.97 C ATOM 235 OG SER A 17 -13.089 9.602 5.237 1.00 1.93 O ATOM 0 H SER A 17 -11.125 9.674 5.855 1.00 0.63 H new ATOM 0 HA SER A 17 -11.948 7.047 5.792 1.00 0.57 H new ATOM 0 HB2 SER A 17 -12.321 8.923 3.445 1.00 0.97 H new ATOM 0 HB3 SER A 17 -13.493 7.862 4.202 1.00 0.97 H new ATOM 0 HG SER A 17 -13.814 10.091 4.795 1.00 1.93 H new ATOM 241 N CYS A 18 -9.944 7.679 3.220 1.00 0.51 N ATOM 242 CA CYS A 18 -9.091 7.017 2.238 1.00 0.52 C ATOM 243 C CYS A 18 -8.009 6.211 2.943 1.00 0.48 C ATOM 244 O CYS A 18 -7.760 5.069 2.568 1.00 0.53 O ATOM 245 CB CYS A 18 -8.452 8.016 1.271 1.00 0.62 C ATOM 246 SG CYS A 18 -9.662 8.624 0.078 1.00 0.83 S ATOM 0 H CYS A 18 -9.925 8.698 3.173 1.00 0.51 H new ATOM 0 HA CYS A 18 -9.722 6.348 1.653 1.00 0.52 H new ATOM 0 HB2 CYS A 18 -8.035 8.853 1.830 1.00 0.62 H new ATOM 0 HB3 CYS A 18 -7.624 7.540 0.745 1.00 0.62 H new ATOM 0 HG CYS A 18 -9.993 9.844 0.379 1.00 0.83 H new ATOM 252 N VAL A 19 -7.383 6.786 3.972 1.00 0.47 N ATOM 253 CA VAL A 19 -6.350 6.110 4.744 1.00 0.50 C ATOM 254 C VAL A 19 -6.851 4.719 5.150 1.00 0.48 C ATOM 255 O VAL A 19 -6.288 3.698 4.748 1.00 0.46 O ATOM 256 CB VAL A 19 -5.942 6.973 5.956 1.00 0.65 C ATOM 257 CG1 VAL A 19 -4.865 6.332 6.835 1.00 0.85 C ATOM 258 CG2 VAL A 19 -5.444 8.347 5.494 1.00 0.76 C ATOM 0 H VAL A 19 -7.582 7.735 4.290 1.00 0.47 H new ATOM 0 HA VAL A 19 -5.453 5.975 4.139 1.00 0.50 H new ATOM 0 HB VAL A 19 -6.843 7.069 6.561 1.00 0.65 H new ATOM 0 HG11 VAL A 19 -4.630 6.997 7.666 1.00 0.85 H new ATOM 0 HG12 VAL A 19 -5.230 5.381 7.223 1.00 0.85 H new ATOM 0 HG13 VAL A 19 -3.966 6.161 6.243 1.00 0.85 H new ATOM 0 HG21 VAL A 19 -5.161 8.942 6.362 1.00 0.76 H new ATOM 0 HG22 VAL A 19 -4.579 8.220 4.843 1.00 0.76 H new ATOM 0 HG23 VAL A 19 -6.238 8.857 4.948 1.00 0.76 H new ATOM 268 N HIS A 20 -7.958 4.675 5.897 1.00 0.55 N ATOM 269 CA HIS A 20 -8.483 3.408 6.369 1.00 0.63 C ATOM 270 C HIS A 20 -9.013 2.554 5.206 1.00 0.59 C ATOM 271 O HIS A 20 -9.013 1.332 5.304 1.00 0.69 O ATOM 272 CB HIS A 20 -9.426 3.629 7.570 1.00 0.77 C ATOM 273 CG HIS A 20 -10.882 3.272 7.416 1.00 0.88 C ATOM 274 ND1 HIS A 20 -11.677 3.501 6.329 1.00 1.40 N flip ATOM 275 CD2 HIS A 20 -11.689 2.776 8.414 1.00 0.73 C flip ATOM 276 CE1 HIS A 20 -12.981 3.122 6.651 1.00 1.51 C flip ATOM 277 NE2 HIS A 20 -12.936 2.697 7.922 1.00 1.11 N flip ATOM 0 H HIS A 20 -8.496 5.494 6.180 1.00 0.55 H new ATOM 0 HA HIS A 20 -7.685 2.788 6.777 1.00 0.63 H new ATOM 0 HB2 HIS A 20 -9.032 3.058 8.411 1.00 0.77 H new ATOM 0 HB3 HIS A 20 -9.370 4.682 7.846 1.00 0.77 H new ATOM 0 HD2 HIS A 20 -11.377 2.501 9.411 1.00 0.73 H new ATOM 0 HE1 HIS A 20 -13.848 3.163 6.009 1.00 1.51 H new ATOM 0 HE2 HIS A 20 -13.743 2.358 8.446 1.00 1.11 H new ATOM 285 N LYS A 21 -9.445 3.171 4.096 1.00 0.52 N ATOM 286 CA LYS A 21 -9.925 2.451 2.919 1.00 0.59 C ATOM 287 C LYS A 21 -8.803 1.574 2.398 1.00 0.60 C ATOM 288 O LYS A 21 -8.988 0.378 2.178 1.00 0.83 O ATOM 289 CB LYS A 21 -10.365 3.437 1.822 1.00 0.61 C ATOM 290 CG LYS A 21 -11.383 2.893 0.807 1.00 0.76 C ATOM 291 CD LYS A 21 -10.699 2.328 -0.447 1.00 1.15 C ATOM 292 CE LYS A 21 -11.681 2.178 -1.622 1.00 1.51 C ATOM 293 NZ LYS A 21 -12.682 1.116 -1.396 1.00 2.79 N ATOM 0 H LYS A 21 -9.469 4.186 3.994 1.00 0.52 H new ATOM 0 HA LYS A 21 -10.785 1.841 3.194 1.00 0.59 H new ATOM 0 HB2 LYS A 21 -10.792 4.318 2.301 1.00 0.61 H new ATOM 0 HB3 LYS A 21 -9.479 3.767 1.279 1.00 0.61 H new ATOM 0 HG2 LYS A 21 -11.981 2.112 1.277 1.00 0.76 H new ATOM 0 HG3 LYS A 21 -12.068 3.690 0.518 1.00 0.76 H new ATOM 0 HD2 LYS A 21 -9.880 2.985 -0.740 1.00 1.15 H new ATOM 0 HD3 LYS A 21 -10.261 1.357 -0.215 1.00 1.15 H new ATOM 0 HE2 LYS A 21 -12.194 3.126 -1.785 1.00 1.51 H new ATOM 0 HE3 LYS A 21 -11.122 1.957 -2.531 1.00 1.51 H new ATOM 0 HZ1 LYS A 21 -13.318 1.058 -2.217 1.00 2.79 H new ATOM 0 HZ2 LYS A 21 -12.198 0.205 -1.267 1.00 2.79 H new ATOM 0 HZ3 LYS A 21 -13.236 1.337 -0.544 1.00 2.79 H new ATOM 307 N ILE A 22 -7.642 2.193 2.200 1.00 0.46 N ATOM 308 CA ILE A 22 -6.474 1.519 1.675 1.00 0.44 C ATOM 309 C ILE A 22 -6.099 0.450 2.679 1.00 0.43 C ATOM 310 O ILE A 22 -6.050 -0.727 2.340 1.00 0.47 O ATOM 311 CB ILE A 22 -5.314 2.502 1.457 1.00 0.45 C ATOM 312 CG1 ILE A 22 -5.706 3.579 0.447 1.00 0.47 C ATOM 313 CG2 ILE A 22 -4.113 1.737 0.919 1.00 0.57 C ATOM 314 CD1 ILE A 22 -4.729 4.748 0.340 1.00 0.61 C ATOM 0 H ILE A 22 -7.492 3.181 2.403 1.00 0.46 H new ATOM 0 HA ILE A 22 -6.690 1.079 0.701 1.00 0.44 H new ATOM 0 HB ILE A 22 -5.071 2.978 2.407 1.00 0.45 H new ATOM 0 HG12 ILE A 22 -5.805 3.116 -0.535 1.00 0.47 H new ATOM 0 HG13 ILE A 22 -6.688 3.969 0.716 1.00 0.47 H new ATOM 0 HG21 ILE A 22 -3.284 2.426 0.761 1.00 0.57 H new ATOM 0 HG22 ILE A 22 -3.817 0.972 1.637 1.00 0.57 H new ATOM 0 HG23 ILE A 22 -4.377 1.264 -0.027 1.00 0.57 H new ATOM 0 HD11 ILE A 22 -5.093 5.460 -0.401 1.00 0.61 H new ATOM 0 HD12 ILE A 22 -4.646 5.243 1.308 1.00 0.61 H new ATOM 0 HD13 ILE A 22 -3.750 4.377 0.037 1.00 0.61 H new ATOM 326 N GLU A 23 -5.861 0.879 3.918 1.00 0.44 N ATOM 327 CA GLU A 23 -5.359 0.012 4.961 1.00 0.43 C ATOM 328 C GLU A 23 -6.240 -1.231 5.079 1.00 0.40 C ATOM 329 O GLU A 23 -5.769 -2.360 4.950 1.00 0.43 O ATOM 330 CB GLU A 23 -5.273 0.819 6.261 1.00 0.51 C ATOM 331 CG GLU A 23 -4.235 0.220 7.223 1.00 0.77 C ATOM 332 CD GLU A 23 -3.289 1.261 7.812 1.00 1.93 C ATOM 333 OE1 GLU A 23 -2.841 2.133 7.033 1.00 3.27 O ATOM 334 OE2 GLU A 23 -3.001 1.148 9.026 1.00 2.75 O ATOM 0 H GLU A 23 -6.014 1.842 4.218 1.00 0.44 H new ATOM 0 HA GLU A 23 -4.358 -0.349 4.725 1.00 0.43 H new ATOM 0 HB2 GLU A 23 -5.008 1.852 6.034 1.00 0.51 H new ATOM 0 HB3 GLU A 23 -6.250 0.840 6.744 1.00 0.51 H new ATOM 0 HG2 GLU A 23 -4.754 -0.290 8.035 1.00 0.77 H new ATOM 0 HG3 GLU A 23 -3.651 -0.533 6.694 1.00 0.77 H new ATOM 341 N SER A 24 -7.546 -1.013 5.244 1.00 0.41 N ATOM 342 CA SER A 24 -8.518 -2.089 5.366 1.00 0.46 C ATOM 343 C SER A 24 -8.468 -2.966 4.115 1.00 0.47 C ATOM 344 O SER A 24 -8.279 -4.183 4.194 1.00 0.65 O ATOM 345 CB SER A 24 -9.918 -1.504 5.600 1.00 0.53 C ATOM 346 OG SER A 24 -10.862 -2.534 5.815 1.00 1.36 O ATOM 0 H SER A 24 -7.956 -0.080 5.296 1.00 0.41 H new ATOM 0 HA SER A 24 -8.276 -2.715 6.225 1.00 0.46 H new ATOM 0 HB2 SER A 24 -9.899 -0.836 6.461 1.00 0.53 H new ATOM 0 HB3 SER A 24 -10.216 -0.905 4.739 1.00 0.53 H new ATOM 0 HG SER A 24 -11.747 -2.141 5.964 1.00 1.36 H new ATOM 352 N SER A 25 -8.596 -2.341 2.943 1.00 0.47 N ATOM 353 CA SER A 25 -8.642 -3.058 1.683 1.00 0.52 C ATOM 354 C SER A 25 -7.344 -3.800 1.383 1.00 0.59 C ATOM 355 O SER A 25 -7.361 -4.698 0.546 1.00 0.90 O ATOM 356 CB SER A 25 -8.965 -2.094 0.553 1.00 0.64 C ATOM 357 OG SER A 25 -9.311 -2.822 -0.610 1.00 0.79 O ATOM 0 H SER A 25 -8.670 -1.328 2.849 1.00 0.47 H new ATOM 0 HA SER A 25 -9.427 -3.810 1.767 1.00 0.52 H new ATOM 0 HB2 SER A 25 -9.788 -1.441 0.843 1.00 0.64 H new ATOM 0 HB3 SER A 25 -8.106 -1.454 0.351 1.00 0.64 H new ATOM 0 HG SER A 25 -8.749 -3.622 -0.674 1.00 0.79 H new ATOM 363 N LEU A 26 -6.237 -3.416 2.016 1.00 0.48 N ATOM 364 CA LEU A 26 -4.984 -4.145 1.929 1.00 0.54 C ATOM 365 C LEU A 26 -4.940 -5.287 2.932 1.00 0.51 C ATOM 366 O LEU A 26 -4.597 -6.395 2.536 1.00 0.58 O ATOM 367 CB LEU A 26 -3.767 -3.228 2.055 1.00 0.64 C ATOM 368 CG LEU A 26 -3.195 -2.815 0.690 1.00 0.73 C ATOM 369 CD1 LEU A 26 -2.532 -3.982 -0.056 1.00 1.82 C ATOM 370 CD2 LEU A 26 -4.233 -2.136 -0.210 1.00 2.14 C ATOM 0 H LEU A 26 -6.189 -2.585 2.606 1.00 0.48 H new ATOM 0 HA LEU A 26 -4.937 -4.581 0.931 1.00 0.54 H new ATOM 0 HB2 LEU A 26 -4.046 -2.334 2.613 1.00 0.64 H new ATOM 0 HB3 LEU A 26 -2.993 -3.735 2.631 1.00 0.64 H new ATOM 0 HG LEU A 26 -2.422 -2.082 0.921 1.00 0.73 H new ATOM 0 HD11 LEU A 26 -2.147 -3.630 -1.013 1.00 1.82 H new ATOM 0 HD12 LEU A 26 -1.711 -4.377 0.543 1.00 1.82 H new ATOM 0 HD13 LEU A 26 -3.267 -4.768 -0.228 1.00 1.82 H new ATOM 0 HD21 LEU A 26 -3.771 -1.867 -1.160 1.00 2.14 H new ATOM 0 HD22 LEU A 26 -5.061 -2.821 -0.391 1.00 2.14 H new ATOM 0 HD23 LEU A 26 -4.606 -1.236 0.279 1.00 2.14 H new ATOM 382 N THR A 27 -5.291 -5.053 4.203 1.00 0.49 N ATOM 383 CA THR A 27 -5.233 -6.081 5.246 1.00 0.55 C ATOM 384 C THR A 27 -5.941 -7.387 4.844 1.00 0.70 C ATOM 385 O THR A 27 -5.577 -8.460 5.319 1.00 1.80 O ATOM 386 CB THR A 27 -5.739 -5.549 6.595 1.00 0.62 C ATOM 387 OG1 THR A 27 -7.018 -4.964 6.486 1.00 0.75 O ATOM 388 CG2 THR A 27 -4.748 -4.551 7.210 1.00 0.79 C ATOM 0 H THR A 27 -5.622 -4.147 4.535 1.00 0.49 H new ATOM 0 HA THR A 27 -4.180 -6.334 5.366 1.00 0.55 H new ATOM 0 HB THR A 27 -5.821 -6.409 7.259 1.00 0.62 H new ATOM 0 HG1 THR A 27 -7.270 -4.902 5.541 1.00 0.75 H new ATOM 0 HG21 THR A 27 -5.136 -4.194 8.164 1.00 0.79 H new ATOM 0 HG22 THR A 27 -3.789 -5.043 7.370 1.00 0.79 H new ATOM 0 HG23 THR A 27 -4.615 -3.707 6.533 1.00 0.79 H new ATOM 396 N LYS A 28 -6.937 -7.313 3.955 1.00 1.05 N ATOM 397 CA LYS A 28 -7.624 -8.487 3.430 1.00 0.97 C ATOM 398 C LYS A 28 -6.754 -9.403 2.549 1.00 0.85 C ATOM 399 O LYS A 28 -7.112 -10.568 2.380 1.00 1.04 O ATOM 400 CB LYS A 28 -8.891 -8.046 2.680 1.00 1.08 C ATOM 401 CG LYS A 28 -8.567 -7.254 1.402 1.00 1.20 C ATOM 402 CD LYS A 28 -8.661 -8.061 0.097 1.00 1.97 C ATOM 403 CE LYS A 28 -10.070 -8.056 -0.513 1.00 1.87 C ATOM 404 NZ LYS A 28 -11.084 -8.618 0.398 1.00 3.23 N ATOM 0 H LYS A 28 -7.287 -6.431 3.581 1.00 1.05 H new ATOM 0 HA LYS A 28 -7.885 -9.100 4.293 1.00 0.97 H new ATOM 0 HB2 LYS A 28 -9.481 -8.925 2.420 1.00 1.08 H new ATOM 0 HB3 LYS A 28 -9.506 -7.433 3.339 1.00 1.08 H new ATOM 0 HG2 LYS A 28 -9.247 -6.405 1.336 1.00 1.20 H new ATOM 0 HG3 LYS A 28 -7.559 -6.849 1.489 1.00 1.20 H new ATOM 0 HD2 LYS A 28 -7.956 -7.653 -0.627 1.00 1.97 H new ATOM 0 HD3 LYS A 28 -8.359 -9.090 0.290 1.00 1.97 H new ATOM 0 HE2 LYS A 28 -10.346 -7.034 -0.772 1.00 1.87 H new ATOM 0 HE3 LYS A 28 -10.063 -8.629 -1.440 1.00 1.87 H new ATOM 0 HZ1 LYS A 28 -12.000 -8.670 -0.092 1.00 3.23 H new ATOM 0 HZ2 LYS A 28 -10.795 -9.572 0.693 1.00 3.23 H new ATOM 0 HZ3 LYS A 28 -11.173 -8.009 1.236 1.00 3.23 H new ATOM 418 N HIS A 29 -5.688 -8.905 1.904 1.00 0.70 N ATOM 419 CA HIS A 29 -4.919 -9.729 0.972 1.00 0.79 C ATOM 420 C HIS A 29 -4.182 -10.843 1.720 1.00 0.91 C ATOM 421 O HIS A 29 -3.460 -10.590 2.679 1.00 1.77 O ATOM 422 CB HIS A 29 -3.942 -8.882 0.143 1.00 0.89 C ATOM 423 CG HIS A 29 -4.589 -8.179 -1.017 1.00 0.78 C ATOM 424 ND1 HIS A 29 -4.510 -8.553 -2.339 1.00 1.46 N ATOM 425 CD2 HIS A 29 -5.276 -6.998 -0.962 1.00 0.79 C ATOM 426 CE1 HIS A 29 -5.163 -7.634 -3.056 1.00 1.92 C ATOM 427 NE2 HIS A 29 -5.653 -6.659 -2.268 1.00 1.58 N ATOM 0 H HIS A 29 -5.346 -7.950 2.011 1.00 0.70 H new ATOM 0 HA HIS A 29 -5.621 -10.188 0.276 1.00 0.79 H new ATOM 0 HB2 HIS A 29 -3.476 -8.141 0.792 1.00 0.89 H new ATOM 0 HB3 HIS A 29 -3.145 -9.524 -0.231 1.00 0.89 H new ATOM 0 HD1 HIS A 29 -4.039 -9.381 -2.705 1.00 1.46 H new ATOM 0 HD2 HIS A 29 -5.490 -6.428 -0.070 1.00 0.79 H new ATOM 0 HE1 HIS A 29 -5.282 -7.669 -4.129 1.00 1.92 H new ATOM 435 N ARG A 30 -4.327 -12.090 1.264 1.00 1.19 N ATOM 436 CA ARG A 30 -3.627 -13.226 1.849 1.00 1.33 C ATOM 437 C ARG A 30 -2.149 -13.182 1.446 1.00 1.53 C ATOM 438 O ARG A 30 -1.706 -13.988 0.632 1.00 2.89 O ATOM 439 CB ARG A 30 -4.294 -14.533 1.400 1.00 1.78 C ATOM 440 CG ARG A 30 -5.733 -14.647 1.920 1.00 2.90 C ATOM 441 CD ARG A 30 -6.343 -15.980 1.469 1.00 3.44 C ATOM 442 NE ARG A 30 -7.711 -16.140 1.984 1.00 4.70 N ATOM 443 CZ ARG A 30 -8.499 -17.202 1.742 1.00 5.68 C ATOM 444 NH1 ARG A 30 -8.049 -18.201 0.974 1.00 5.64 N ATOM 445 NH2 ARG A 30 -9.727 -17.260 2.268 1.00 7.12 N ATOM 0 H ARG A 30 -4.932 -12.335 0.481 1.00 1.19 H new ATOM 0 HA ARG A 30 -3.683 -13.177 2.936 1.00 1.33 H new ATOM 0 HB2 ARG A 30 -4.296 -14.585 0.311 1.00 1.78 H new ATOM 0 HB3 ARG A 30 -3.710 -15.381 1.758 1.00 1.78 H new ATOM 0 HG2 ARG A 30 -5.743 -14.581 3.008 1.00 2.90 H new ATOM 0 HG3 ARG A 30 -6.332 -13.817 1.545 1.00 2.90 H new ATOM 0 HD2 ARG A 30 -6.354 -16.028 0.380 1.00 3.44 H new ATOM 0 HD3 ARG A 30 -5.721 -16.804 1.819 1.00 3.44 H new ATOM 0 HE ARG A 30 -8.089 -15.392 2.566 1.00 4.70 H new ATOM 0 HH11 ARG A 30 -7.111 -18.155 0.575 1.00 5.64 H new ATOM 0 HH12 ARG A 30 -8.643 -19.009 0.788 1.00 5.64 H new ATOM 0 HH21 ARG A 30 -10.067 -16.498 2.854 1.00 7.12 H new ATOM 0 HH22 ARG A 30 -10.323 -18.067 2.083 1.00 7.12 H new ATOM 459 N GLY A 31 -1.389 -12.238 2.005 1.00 0.95 N ATOM 460 CA GLY A 31 0.016 -12.082 1.662 1.00 1.13 C ATOM 461 C GLY A 31 0.708 -10.967 2.445 1.00 0.89 C ATOM 462 O GLY A 31 1.858 -11.135 2.857 1.00 1.18 O ATOM 0 H GLY A 31 -1.729 -11.571 2.698 1.00 0.95 H new ATOM 0 HA2 GLY A 31 0.535 -13.023 1.847 1.00 1.13 H new ATOM 0 HA3 GLY A 31 0.102 -11.875 0.595 1.00 1.13 H new ATOM 466 N ILE A 32 0.031 -9.830 2.655 1.00 0.85 N ATOM 467 CA ILE A 32 0.560 -8.823 3.568 1.00 0.73 C ATOM 468 C ILE A 32 0.431 -9.320 5.012 1.00 0.84 C ATOM 469 O ILE A 32 -0.385 -10.193 5.306 1.00 1.30 O ATOM 470 CB ILE A 32 -0.010 -7.401 3.329 1.00 1.12 C ATOM 471 CG1 ILE A 32 -1.345 -7.067 4.006 1.00 1.24 C ATOM 472 CG2 ILE A 32 -0.067 -7.029 1.839 1.00 3.19 C ATOM 473 CD1 ILE A 32 -2.408 -8.117 3.720 1.00 3.33 C ATOM 0 H ILE A 32 -0.859 -9.593 2.216 1.00 0.85 H new ATOM 0 HA ILE A 32 1.622 -8.696 3.357 1.00 0.73 H new ATOM 0 HB ILE A 32 0.725 -6.778 3.838 1.00 1.12 H new ATOM 0 HG12 ILE A 32 -1.195 -6.987 5.083 1.00 1.24 H new ATOM 0 HG13 ILE A 32 -1.694 -6.094 3.659 1.00 1.24 H new ATOM 0 HG21 ILE A 32 -0.474 -6.024 1.730 1.00 3.19 H new ATOM 0 HG22 ILE A 32 0.938 -7.061 1.417 1.00 3.19 H new ATOM 0 HG23 ILE A 32 -0.705 -7.738 1.311 1.00 3.19 H new ATOM 0 HD11 ILE A 32 -3.337 -7.840 4.219 1.00 3.33 H new ATOM 0 HD12 ILE A 32 -2.578 -8.179 2.645 1.00 3.33 H new ATOM 0 HD13 ILE A 32 -2.072 -9.085 4.091 1.00 3.33 H new ATOM 485 N LEU A 33 1.240 -8.767 5.912 1.00 0.67 N ATOM 486 CA LEU A 33 1.041 -8.873 7.351 1.00 0.90 C ATOM 487 C LEU A 33 0.577 -7.530 7.921 1.00 0.86 C ATOM 488 O LEU A 33 -0.116 -7.514 8.936 1.00 0.98 O ATOM 489 CB LEU A 33 2.279 -9.475 8.037 1.00 1.18 C ATOM 490 CG LEU A 33 3.525 -8.576 8.042 1.00 1.69 C ATOM 491 CD1 LEU A 33 3.617 -7.758 9.337 1.00 2.99 C ATOM 492 CD2 LEU A 33 4.791 -9.428 7.905 1.00 2.26 C ATOM 0 H LEU A 33 2.065 -8.224 5.656 1.00 0.67 H new ATOM 0 HA LEU A 33 0.237 -9.577 7.565 1.00 0.90 H new ATOM 0 HB2 LEU A 33 2.021 -9.718 9.068 1.00 1.18 H new ATOM 0 HB3 LEU A 33 2.529 -10.413 7.542 1.00 1.18 H new ATOM 0 HG LEU A 33 3.440 -7.892 7.197 1.00 1.69 H new ATOM 0 HD11 LEU A 33 4.509 -7.132 9.310 1.00 2.99 H new ATOM 0 HD12 LEU A 33 2.734 -7.126 9.432 1.00 2.99 H new ATOM 0 HD13 LEU A 33 3.674 -8.433 10.191 1.00 2.99 H new ATOM 0 HD21 LEU A 33 5.668 -8.780 7.910 1.00 2.26 H new ATOM 0 HD22 LEU A 33 4.851 -10.127 8.739 1.00 2.26 H new ATOM 0 HD23 LEU A 33 4.756 -9.984 6.968 1.00 2.26 H new ATOM 504 N TYR A 34 0.904 -6.403 7.268 1.00 0.81 N ATOM 505 CA TYR A 34 0.364 -5.101 7.632 1.00 0.98 C ATOM 506 C TYR A 34 0.477 -4.155 6.436 1.00 1.00 C ATOM 507 O TYR A 34 1.407 -4.281 5.641 1.00 1.02 O ATOM 508 CB TYR A 34 1.119 -4.547 8.855 1.00 1.12 C ATOM 509 CG TYR A 34 0.583 -3.253 9.448 1.00 1.34 C ATOM 510 CD1 TYR A 34 -0.797 -3.067 9.674 1.00 2.59 C ATOM 511 CD2 TYR A 34 1.482 -2.235 9.820 1.00 1.49 C ATOM 512 CE1 TYR A 34 -1.282 -1.807 10.068 1.00 2.84 C ATOM 513 CE2 TYR A 34 0.996 -1.003 10.285 1.00 1.60 C ATOM 514 CZ TYR A 34 -0.384 -0.744 10.266 1.00 1.88 C ATOM 515 OH TYR A 34 -0.818 0.546 10.361 1.00 2.29 O ATOM 0 H TYR A 34 1.548 -6.378 6.477 1.00 0.81 H new ATOM 0 HA TYR A 34 -0.688 -5.195 7.900 1.00 0.98 H new ATOM 0 HB2 TYR A 34 1.113 -5.309 9.635 1.00 1.12 H new ATOM 0 HB3 TYR A 34 2.160 -4.388 8.572 1.00 1.12 H new ATOM 0 HD1 TYR A 34 -1.481 -3.892 9.544 1.00 2.59 H new ATOM 0 HD2 TYR A 34 2.546 -2.402 9.747 1.00 1.49 H new ATOM 0 HE1 TYR A 34 -2.341 -1.657 10.218 1.00 2.84 H new ATOM 0 HE2 TYR A 34 1.682 -0.256 10.657 1.00 1.60 H new ATOM 0 HH TYR A 34 -1.708 0.622 9.958 1.00 2.29 H new ATOM 525 N CYS A 35 -0.456 -3.208 6.320 1.00 1.12 N ATOM 526 CA CYS A 35 -0.348 -2.026 5.472 1.00 1.07 C ATOM 527 C CYS A 35 -0.400 -0.843 6.424 1.00 1.06 C ATOM 528 O CYS A 35 -1.185 -0.895 7.362 1.00 1.45 O ATOM 529 CB CYS A 35 -1.528 -1.946 4.498 1.00 1.18 C ATOM 530 SG CYS A 35 -1.551 -0.326 3.704 1.00 2.51 S ATOM 0 H CYS A 35 -1.337 -3.247 6.833 1.00 1.12 H new ATOM 0 HA CYS A 35 0.565 -2.047 4.877 1.00 1.07 H new ATOM 0 HB2 CYS A 35 -1.445 -2.730 3.745 1.00 1.18 H new ATOM 0 HB3 CYS A 35 -2.464 -2.114 5.031 1.00 1.18 H new ATOM 0 HG CYS A 35 -2.552 -0.262 2.877 1.00 2.51 H new ATOM 536 N SER A 36 0.436 0.175 6.228 1.00 0.71 N ATOM 537 CA SER A 36 0.371 1.406 7.000 1.00 0.63 C ATOM 538 C SER A 36 0.423 2.561 6.010 1.00 0.50 C ATOM 539 O SER A 36 1.496 2.820 5.456 1.00 0.57 O ATOM 540 CB SER A 36 1.534 1.454 7.997 1.00 0.94 C ATOM 541 OG SER A 36 1.172 2.150 9.174 1.00 1.25 O ATOM 0 H SER A 36 1.177 0.166 5.527 1.00 0.71 H new ATOM 0 HA SER A 36 -0.548 1.468 7.582 1.00 0.63 H new ATOM 0 HB2 SER A 36 1.840 0.439 8.251 1.00 0.94 H new ATOM 0 HB3 SER A 36 2.393 1.940 7.534 1.00 0.94 H new ATOM 0 HG SER A 36 0.486 1.643 9.656 1.00 1.25 H new ATOM 547 N VAL A 37 -0.711 3.214 5.733 1.00 0.48 N ATOM 548 CA VAL A 37 -0.760 4.339 4.821 1.00 0.49 C ATOM 549 C VAL A 37 -0.870 5.675 5.559 1.00 0.53 C ATOM 550 O VAL A 37 -1.434 5.747 6.648 1.00 0.63 O ATOM 551 CB VAL A 37 -1.877 4.083 3.801 1.00 0.59 C ATOM 552 CG1 VAL A 37 -3.226 4.562 4.320 1.00 1.89 C ATOM 553 CG2 VAL A 37 -1.575 4.762 2.471 1.00 2.26 C ATOM 0 H VAL A 37 -1.614 2.970 6.139 1.00 0.48 H new ATOM 0 HA VAL A 37 0.179 4.425 4.274 1.00 0.49 H new ATOM 0 HB VAL A 37 -1.924 3.005 3.647 1.00 0.59 H new ATOM 0 HG11 VAL A 37 -3.994 4.365 3.572 1.00 1.89 H new ATOM 0 HG12 VAL A 37 -3.471 4.032 5.240 1.00 1.89 H new ATOM 0 HG13 VAL A 37 -3.180 5.633 4.520 1.00 1.89 H new ATOM 0 HG21 VAL A 37 -2.384 4.563 1.769 1.00 2.26 H new ATOM 0 HG22 VAL A 37 -1.484 5.837 2.624 1.00 2.26 H new ATOM 0 HG23 VAL A 37 -0.640 4.372 2.068 1.00 2.26 H new ATOM 563 N ALA A 38 -0.348 6.749 4.957 1.00 0.64 N ATOM 564 CA ALA A 38 -0.560 8.105 5.438 1.00 0.76 C ATOM 565 C ALA A 38 -0.483 9.104 4.288 1.00 0.78 C ATOM 566 O ALA A 38 0.415 9.038 3.446 1.00 0.73 O ATOM 567 CB ALA A 38 0.454 8.468 6.520 1.00 0.78 C ATOM 0 H ALA A 38 0.234 6.695 4.121 1.00 0.64 H new ATOM 0 HA ALA A 38 -1.558 8.151 5.874 1.00 0.76 H new ATOM 0 HB1 ALA A 38 0.272 9.487 6.862 1.00 0.78 H new ATOM 0 HB2 ALA A 38 0.352 7.780 7.359 1.00 0.78 H new ATOM 0 HB3 ALA A 38 1.462 8.396 6.112 1.00 0.78 H new ATOM 573 N LEU A 39 -1.425 10.050 4.282 1.00 0.98 N ATOM 574 CA LEU A 39 -1.554 11.070 3.246 1.00 1.11 C ATOM 575 C LEU A 39 -0.513 12.175 3.421 1.00 0.94 C ATOM 576 O LEU A 39 -0.021 12.721 2.435 1.00 0.98 O ATOM 577 CB LEU A 39 -3.003 11.577 3.159 1.00 1.47 C ATOM 578 CG LEU A 39 -3.522 12.379 4.368 1.00 1.34 C ATOM 579 CD1 LEU A 39 -3.255 13.883 4.219 1.00 1.87 C ATOM 580 CD2 LEU A 39 -5.039 12.182 4.487 1.00 1.70 C ATOM 0 H LEU A 39 -2.132 10.127 5.013 1.00 0.98 H new ATOM 0 HA LEU A 39 -1.336 10.623 2.276 1.00 1.11 H new ATOM 0 HB2 LEU A 39 -3.094 12.202 2.270 1.00 1.47 H new ATOM 0 HB3 LEU A 39 -3.657 10.718 3.013 1.00 1.47 H new ATOM 0 HG LEU A 39 -2.997 12.015 5.251 1.00 1.34 H new ATOM 0 HD11 LEU A 39 -3.637 14.409 5.094 1.00 1.87 H new ATOM 0 HD12 LEU A 39 -2.182 14.055 4.132 1.00 1.87 H new ATOM 0 HD13 LEU A 39 -3.755 14.255 3.325 1.00 1.87 H new ATOM 0 HD21 LEU A 39 -5.413 12.747 5.341 1.00 1.70 H new ATOM 0 HD22 LEU A 39 -5.524 12.535 3.577 1.00 1.70 H new ATOM 0 HD23 LEU A 39 -5.259 11.124 4.628 1.00 1.70 H new ATOM 592 N ALA A 40 -0.134 12.463 4.671 1.00 0.90 N ATOM 593 CA ALA A 40 0.922 13.416 4.985 1.00 0.97 C ATOM 594 C ALA A 40 2.213 13.017 4.270 1.00 0.97 C ATOM 595 O ALA A 40 2.791 13.809 3.532 1.00 1.14 O ATOM 596 CB ALA A 40 1.121 13.488 6.502 1.00 1.12 C ATOM 0 H ALA A 40 -0.558 12.036 5.495 1.00 0.90 H new ATOM 0 HA ALA A 40 0.637 14.408 4.634 1.00 0.97 H new ATOM 0 HB1 ALA A 40 1.912 14.202 6.732 1.00 1.12 H new ATOM 0 HB2 ALA A 40 0.193 13.809 6.976 1.00 1.12 H new ATOM 0 HB3 ALA A 40 1.400 12.504 6.880 1.00 1.12 H new ATOM 602 N THR A 41 2.634 11.763 4.455 1.00 0.88 N ATOM 603 CA THR A 41 3.750 11.174 3.745 1.00 0.91 C ATOM 604 C THR A 41 3.376 10.987 2.274 1.00 0.76 C ATOM 605 O THR A 41 4.239 11.008 1.402 1.00 0.89 O ATOM 606 CB THR A 41 4.063 9.825 4.408 1.00 1.14 C ATOM 607 OG1 THR A 41 3.717 9.874 5.782 1.00 1.94 O ATOM 608 CG2 THR A 41 5.545 9.474 4.265 1.00 1.87 C ATOM 0 H THR A 41 2.194 11.124 5.117 1.00 0.88 H new ATOM 0 HA THR A 41 4.629 11.817 3.788 1.00 0.91 H new ATOM 0 HB THR A 41 3.476 9.055 3.908 1.00 1.14 H new ATOM 0 HG1 THR A 41 3.917 9.011 6.201 1.00 1.94 H new ATOM 0 HG21 THR A 41 5.739 8.514 4.743 1.00 1.87 H new ATOM 0 HG22 THR A 41 5.804 9.412 3.208 1.00 1.87 H new ATOM 0 HG23 THR A 41 6.149 10.246 4.742 1.00 1.87 H new ATOM 616 N ASN A 42 2.080 10.761 2.015 1.00 0.74 N ATOM 617 CA ASN A 42 1.567 10.249 0.754 1.00 0.79 C ATOM 618 C ASN A 42 2.339 8.978 0.443 1.00 0.87 C ATOM 619 O ASN A 42 2.978 8.846 -0.598 1.00 1.19 O ATOM 620 CB ASN A 42 1.458 11.278 -0.394 1.00 0.82 C ATOM 621 CG ASN A 42 2.356 12.507 -0.327 1.00 2.10 C ATOM 622 OD1 ASN A 42 3.193 12.735 -1.203 1.00 3.08 O ATOM 623 ND2 ASN A 42 2.114 13.373 0.650 1.00 3.02 N ATOM 0 H ASN A 42 1.346 10.937 2.702 1.00 0.74 H new ATOM 0 HA ASN A 42 0.510 10.007 0.862 1.00 0.79 H new ATOM 0 HB2 ASN A 42 1.666 10.760 -1.330 1.00 0.82 H new ATOM 0 HB3 ASN A 42 0.424 11.620 -0.442 1.00 0.82 H new ATOM 0 HD21 ASN A 42 2.627 14.254 0.689 1.00 3.02 H new ATOM 0 HD22 ASN A 42 1.415 13.157 1.361 1.00 3.02 H new ATOM 630 N LYS A 43 2.285 8.047 1.398 1.00 0.76 N ATOM 631 CA LYS A 43 2.990 6.783 1.336 1.00 0.77 C ATOM 632 C LYS A 43 2.096 5.686 1.899 1.00 0.66 C ATOM 633 O LYS A 43 1.393 5.935 2.877 1.00 0.71 O ATOM 634 CB LYS A 43 4.321 6.878 2.103 1.00 0.91 C ATOM 635 CG LYS A 43 5.164 5.605 1.951 1.00 1.39 C ATOM 636 CD LYS A 43 6.407 5.592 2.846 1.00 1.08 C ATOM 637 CE LYS A 43 7.504 6.547 2.357 1.00 1.16 C ATOM 638 NZ LYS A 43 8.823 6.219 2.936 1.00 1.35 N ATOM 0 H LYS A 43 1.736 8.162 2.250 1.00 0.76 H new ATOM 0 HA LYS A 43 3.227 6.540 0.300 1.00 0.77 H new ATOM 0 HB2 LYS A 43 4.889 7.734 1.739 1.00 0.91 H new ATOM 0 HB3 LYS A 43 4.119 7.055 3.159 1.00 0.91 H new ATOM 0 HG2 LYS A 43 4.546 4.738 2.186 1.00 1.39 H new ATOM 0 HG3 LYS A 43 5.473 5.504 0.911 1.00 1.39 H new ATOM 0 HD2 LYS A 43 6.120 5.865 3.861 1.00 1.08 H new ATOM 0 HD3 LYS A 43 6.807 4.579 2.889 1.00 1.08 H new ATOM 0 HE2 LYS A 43 7.565 6.503 1.270 1.00 1.16 H new ATOM 0 HE3 LYS A 43 7.237 7.571 2.620 1.00 1.16 H new ATOM 0 HZ1 LYS A 43 9.501 6.973 2.704 1.00 1.35 H new ATOM 0 HZ2 LYS A 43 8.738 6.136 3.969 1.00 1.35 H new ATOM 0 HZ3 LYS A 43 9.160 5.317 2.543 1.00 1.35 H new ATOM 652 N ALA A 44 2.166 4.487 1.310 1.00 0.61 N ATOM 653 CA ALA A 44 1.819 3.242 1.980 1.00 0.58 C ATOM 654 C ALA A 44 3.110 2.471 2.205 1.00 0.57 C ATOM 655 O ALA A 44 3.862 2.294 1.245 1.00 0.61 O ATOM 656 CB ALA A 44 0.838 2.402 1.151 1.00 0.70 C ATOM 0 H ALA A 44 2.469 4.359 0.344 1.00 0.61 H new ATOM 0 HA ALA A 44 1.322 3.463 2.925 1.00 0.58 H new ATOM 0 HB1 ALA A 44 0.605 1.482 1.686 1.00 0.70 H new ATOM 0 HB2 ALA A 44 -0.078 2.969 0.988 1.00 0.70 H new ATOM 0 HB3 ALA A 44 1.290 2.158 0.190 1.00 0.70 H new ATOM 662 N HIS A 45 3.365 2.010 3.433 1.00 0.59 N ATOM 663 CA HIS A 45 4.225 0.851 3.607 1.00 0.64 C ATOM 664 C HIS A 45 3.340 -0.385 3.592 1.00 0.59 C ATOM 665 O HIS A 45 2.202 -0.337 4.062 1.00 0.65 O ATOM 666 CB HIS A 45 5.164 0.945 4.818 1.00 0.85 C ATOM 667 CG HIS A 45 4.640 0.550 6.176 1.00 0.63 C ATOM 668 ND1 HIS A 45 4.985 1.201 7.338 1.00 0.87 N ATOM 669 CD2 HIS A 45 4.153 -0.684 6.535 1.00 0.72 C ATOM 670 CE1 HIS A 45 4.683 0.394 8.366 1.00 0.96 C ATOM 671 NE2 HIS A 45 4.174 -0.769 7.930 1.00 0.90 N ATOM 0 H HIS A 45 2.997 2.412 4.295 1.00 0.59 H new ATOM 0 HA HIS A 45 4.931 0.794 2.779 1.00 0.64 H new ATOM 0 HB2 HIS A 45 6.036 0.326 4.608 1.00 0.85 H new ATOM 0 HB3 HIS A 45 5.513 1.975 4.886 1.00 0.85 H new ATOM 0 HD2 HIS A 45 3.813 -1.454 5.858 1.00 0.72 H new ATOM 0 HE1 HIS A 45 4.830 0.646 9.406 1.00 0.96 H new ATOM 0 HE2 HIS A 45 3.865 -1.556 8.501 1.00 0.90 H new ATOM 679 N ILE A 46 3.864 -1.480 3.049 1.00 0.58 N ATOM 680 CA ILE A 46 3.267 -2.794 3.104 1.00 0.53 C ATOM 681 C ILE A 46 4.350 -3.744 3.600 1.00 0.57 C ATOM 682 O ILE A 46 5.376 -3.944 2.952 1.00 0.77 O ATOM 683 CB ILE A 46 2.720 -3.216 1.736 1.00 0.56 C ATOM 684 CG1 ILE A 46 1.466 -2.427 1.317 1.00 0.64 C ATOM 685 CG2 ILE A 46 2.375 -4.706 1.752 1.00 0.78 C ATOM 686 CD1 ILE A 46 1.779 -1.120 0.583 1.00 0.89 C ATOM 0 H ILE A 46 4.749 -1.467 2.542 1.00 0.58 H new ATOM 0 HA ILE A 46 2.411 -2.806 3.779 1.00 0.53 H new ATOM 0 HB ILE A 46 3.505 -3.002 1.011 1.00 0.56 H new ATOM 0 HG12 ILE A 46 0.850 -3.056 0.675 1.00 0.64 H new ATOM 0 HG13 ILE A 46 0.875 -2.202 2.205 1.00 0.64 H new ATOM 0 HG21 ILE A 46 1.987 -5.000 0.777 1.00 0.78 H new ATOM 0 HG22 ILE A 46 3.271 -5.285 1.975 1.00 0.78 H new ATOM 0 HG23 ILE A 46 1.621 -4.897 2.515 1.00 0.78 H new ATOM 0 HD11 ILE A 46 0.848 -0.619 0.319 1.00 0.89 H new ATOM 0 HD12 ILE A 46 2.369 -0.471 1.230 1.00 0.89 H new ATOM 0 HD13 ILE A 46 2.343 -1.338 -0.324 1.00 0.89 H new ATOM 698 N LYS A 47 4.076 -4.339 4.754 1.00 0.47 N ATOM 699 CA LYS A 47 4.816 -5.459 5.290 1.00 0.49 C ATOM 700 C LYS A 47 4.171 -6.713 4.728 1.00 0.46 C ATOM 701 O LYS A 47 2.953 -6.859 4.839 1.00 0.77 O ATOM 702 CB LYS A 47 4.750 -5.446 6.814 1.00 0.57 C ATOM 703 CG LYS A 47 5.461 -4.210 7.364 1.00 0.64 C ATOM 704 CD LYS A 47 5.914 -4.483 8.798 1.00 0.90 C ATOM 705 CE LYS A 47 6.741 -3.303 9.319 1.00 1.12 C ATOM 706 NZ LYS A 47 7.399 -3.633 10.598 1.00 2.10 N ATOM 0 H LYS A 47 3.308 -4.042 5.356 1.00 0.47 H new ATOM 0 HA LYS A 47 5.869 -5.413 5.013 1.00 0.49 H new ATOM 0 HB2 LYS A 47 3.710 -5.451 7.140 1.00 0.57 H new ATOM 0 HB3 LYS A 47 5.213 -6.348 7.213 1.00 0.57 H new ATOM 0 HG2 LYS A 47 6.320 -3.963 6.740 1.00 0.64 H new ATOM 0 HG3 LYS A 47 4.791 -3.350 7.340 1.00 0.64 H new ATOM 0 HD2 LYS A 47 5.046 -4.641 9.439 1.00 0.90 H new ATOM 0 HD3 LYS A 47 6.507 -5.397 8.833 1.00 0.90 H new ATOM 0 HE2 LYS A 47 7.494 -3.030 8.580 1.00 1.12 H new ATOM 0 HE3 LYS A 47 6.096 -2.435 9.453 1.00 1.12 H new ATOM 0 HZ1 LYS A 47 7.951 -2.815 10.925 1.00 2.10 H new ATOM 0 HZ2 LYS A 47 6.678 -3.870 11.308 1.00 2.10 H new ATOM 0 HZ3 LYS A 47 8.033 -4.447 10.463 1.00 2.10 H new ATOM 720 N TYR A 48 4.949 -7.586 4.094 1.00 0.72 N ATOM 721 CA TYR A 48 4.433 -8.678 3.287 1.00 0.63 C ATOM 722 C TYR A 48 5.556 -9.622 2.897 1.00 0.66 C ATOM 723 O TYR A 48 6.691 -9.182 2.726 1.00 0.73 O ATOM 724 CB TYR A 48 3.756 -8.155 2.009 1.00 0.66 C ATOM 725 CG TYR A 48 4.660 -7.661 0.884 1.00 0.74 C ATOM 726 CD1 TYR A 48 5.797 -6.864 1.133 1.00 2.04 C ATOM 727 CD2 TYR A 48 4.375 -8.053 -0.436 1.00 1.65 C ATOM 728 CE1 TYR A 48 6.710 -6.597 0.099 1.00 2.17 C ATOM 729 CE2 TYR A 48 5.233 -7.692 -1.487 1.00 1.75 C ATOM 730 CZ TYR A 48 6.416 -6.991 -1.216 1.00 1.16 C ATOM 731 OH TYR A 48 7.267 -6.685 -2.236 1.00 1.44 O ATOM 0 H TYR A 48 5.968 -7.551 4.129 1.00 0.72 H new ATOM 0 HA TYR A 48 3.694 -9.208 3.888 1.00 0.63 H new ATOM 0 HB2 TYR A 48 3.129 -8.952 1.611 1.00 0.66 H new ATOM 0 HB3 TYR A 48 3.092 -7.337 2.291 1.00 0.66 H new ATOM 0 HD1 TYR A 48 5.966 -6.459 2.120 1.00 2.04 H new ATOM 0 HD2 TYR A 48 3.490 -8.636 -0.643 1.00 1.65 H new ATOM 0 HE1 TYR A 48 7.638 -6.089 0.316 1.00 2.17 H new ATOM 0 HE2 TYR A 48 4.982 -7.954 -2.504 1.00 1.75 H new ATOM 0 HH TYR A 48 7.455 -7.492 -2.759 1.00 1.44 H new ATOM 741 N ASP A 49 5.237 -10.897 2.681 1.00 0.77 N ATOM 742 CA ASP A 49 6.195 -11.802 2.075 1.00 0.77 C ATOM 743 C ASP A 49 6.213 -11.513 0.566 1.00 0.70 C ATOM 744 O ASP A 49 5.174 -11.636 -0.085 1.00 0.74 O ATOM 745 CB ASP A 49 5.797 -13.242 2.399 1.00 0.91 C ATOM 746 CG ASP A 49 6.755 -14.252 1.794 1.00 2.29 C ATOM 747 OD1 ASP A 49 7.386 -13.977 0.751 1.00 3.56 O ATOM 748 OD2 ASP A 49 6.943 -15.330 2.392 1.00 3.18 O ATOM 0 H ASP A 49 4.337 -11.316 2.914 1.00 0.77 H new ATOM 0 HA ASP A 49 7.202 -11.658 2.465 1.00 0.77 H new ATOM 0 HB2 ASP A 49 5.768 -13.374 3.481 1.00 0.91 H new ATOM 0 HB3 ASP A 49 4.790 -13.431 2.027 1.00 0.91 H new ATOM 753 N PRO A 50 7.350 -11.099 -0.014 1.00 0.78 N ATOM 754 CA PRO A 50 7.421 -10.736 -1.420 1.00 0.80 C ATOM 755 C PRO A 50 7.355 -11.957 -2.341 1.00 0.82 C ATOM 756 O PRO A 50 7.088 -11.796 -3.529 1.00 1.09 O ATOM 757 CB PRO A 50 8.755 -9.999 -1.568 1.00 0.94 C ATOM 758 CG PRO A 50 9.635 -10.673 -0.516 1.00 1.04 C ATOM 759 CD PRO A 50 8.652 -10.955 0.620 1.00 1.02 C ATOM 0 HA PRO A 50 6.572 -10.119 -1.713 1.00 0.80 H new ATOM 0 HB2 PRO A 50 9.168 -10.108 -2.571 1.00 0.94 H new ATOM 0 HB3 PRO A 50 8.649 -8.930 -1.382 1.00 0.94 H new ATOM 0 HG2 PRO A 50 10.088 -11.589 -0.895 1.00 1.04 H new ATOM 0 HG3 PRO A 50 10.449 -10.024 -0.194 1.00 1.04 H new ATOM 0 HD2 PRO A 50 8.927 -11.861 1.160 1.00 1.02 H new ATOM 0 HD3 PRO A 50 8.647 -10.141 1.345 1.00 1.02 H new ATOM 767 N GLU A 51 7.622 -13.161 -1.827 1.00 0.87 N ATOM 768 CA GLU A 51 7.703 -14.368 -2.633 1.00 0.94 C ATOM 769 C GLU A 51 6.294 -14.804 -3.036 1.00 0.97 C ATOM 770 O GLU A 51 6.020 -15.063 -4.205 1.00 1.54 O ATOM 771 CB GLU A 51 8.426 -15.440 -1.806 1.00 1.11 C ATOM 772 CG GLU A 51 8.810 -16.700 -2.593 1.00 2.54 C ATOM 773 CD GLU A 51 9.537 -17.713 -1.714 1.00 3.12 C ATOM 774 OE1 GLU A 51 9.671 -17.428 -0.502 1.00 3.10 O ATOM 775 OE2 GLU A 51 9.954 -18.754 -2.263 1.00 4.28 O ATOM 0 H GLU A 51 7.788 -13.320 -0.833 1.00 0.87 H new ATOM 0 HA GLU A 51 8.264 -14.198 -3.552 1.00 0.94 H new ATOM 0 HB2 GLU A 51 9.329 -15.004 -1.380 1.00 1.11 H new ATOM 0 HB3 GLU A 51 7.787 -15.729 -0.971 1.00 1.11 H new ATOM 0 HG2 GLU A 51 7.912 -17.157 -3.009 1.00 2.54 H new ATOM 0 HG3 GLU A 51 9.447 -16.424 -3.434 1.00 2.54 H new ATOM 782 N ILE A 52 5.404 -14.908 -2.045 1.00 0.85 N ATOM 783 CA ILE A 52 4.104 -15.539 -2.223 1.00 0.89 C ATOM 784 C ILE A 52 3.168 -14.715 -3.108 1.00 0.91 C ATOM 785 O ILE A 52 2.612 -15.229 -4.077 1.00 1.21 O ATOM 786 CB ILE A 52 3.482 -15.893 -0.858 1.00 0.84 C ATOM 787 CG1 ILE A 52 3.226 -14.674 0.045 1.00 0.68 C ATOM 788 CG2 ILE A 52 4.367 -16.943 -0.167 1.00 1.18 C ATOM 789 CD1 ILE A 52 2.801 -15.066 1.465 1.00 0.81 C ATOM 0 H ILE A 52 5.569 -14.557 -1.102 1.00 0.85 H new ATOM 0 HA ILE A 52 4.258 -16.473 -2.763 1.00 0.89 H new ATOM 0 HB ILE A 52 2.490 -16.307 -1.042 1.00 0.84 H new ATOM 0 HG12 ILE A 52 4.131 -14.068 0.096 1.00 0.68 H new ATOM 0 HG13 ILE A 52 2.451 -14.052 -0.403 1.00 0.68 H new ATOM 0 HG21 ILE A 52 3.937 -17.202 0.801 1.00 1.18 H new ATOM 0 HG22 ILE A 52 4.425 -17.836 -0.789 1.00 1.18 H new ATOM 0 HG23 ILE A 52 5.368 -16.537 -0.022 1.00 1.18 H new ATOM 0 HD11 ILE A 52 2.634 -14.166 2.056 1.00 0.81 H new ATOM 0 HD12 ILE A 52 1.880 -15.647 1.422 1.00 0.81 H new ATOM 0 HD13 ILE A 52 3.586 -15.664 1.928 1.00 0.81 H new ATOM 801 N ILE A 53 2.956 -13.452 -2.738 1.00 0.75 N ATOM 802 CA ILE A 53 1.926 -12.599 -3.324 1.00 0.74 C ATOM 803 C ILE A 53 2.522 -11.674 -4.384 1.00 0.67 C ATOM 804 O ILE A 53 2.023 -11.577 -5.504 1.00 0.79 O ATOM 805 CB ILE A 53 1.159 -11.863 -2.206 1.00 0.78 C ATOM 806 CG1 ILE A 53 -0.017 -11.080 -2.798 1.00 0.95 C ATOM 807 CG2 ILE A 53 2.018 -10.916 -1.357 1.00 0.67 C ATOM 808 CD1 ILE A 53 -1.161 -10.942 -1.788 1.00 1.33 C ATOM 0 H ILE A 53 3.503 -12.988 -2.013 1.00 0.75 H new ATOM 0 HA ILE A 53 1.194 -13.209 -3.853 1.00 0.74 H new ATOM 0 HB ILE A 53 0.811 -12.647 -1.534 1.00 0.78 H new ATOM 0 HG12 ILE A 53 0.321 -10.090 -3.105 1.00 0.95 H new ATOM 0 HG13 ILE A 53 -0.379 -11.585 -3.693 1.00 0.95 H new ATOM 0 HG21 ILE A 53 1.396 -10.443 -0.597 1.00 0.67 H new ATOM 0 HG22 ILE A 53 2.814 -11.482 -0.873 1.00 0.67 H new ATOM 0 HG23 ILE A 53 2.455 -10.149 -1.997 1.00 0.67 H new ATOM 0 HD11 ILE A 53 -1.979 -10.381 -2.240 1.00 1.33 H new ATOM 0 HD12 ILE A 53 -1.514 -11.932 -1.501 1.00 1.33 H new ATOM 0 HD13 ILE A 53 -0.804 -10.414 -0.904 1.00 1.33 H new ATOM 820 N GLY A 54 3.617 -11.012 -4.022 1.00 0.71 N ATOM 821 CA GLY A 54 4.356 -10.118 -4.894 1.00 0.68 C ATOM 822 C GLY A 54 3.756 -8.708 -4.906 1.00 0.59 C ATOM 823 O GLY A 54 2.589 -8.513 -4.574 1.00 0.64 O ATOM 0 H GLY A 54 4.022 -11.088 -3.089 1.00 0.71 H new ATOM 0 HA2 GLY A 54 5.395 -10.068 -4.567 1.00 0.68 H new ATOM 0 HA3 GLY A 54 4.360 -10.520 -5.907 1.00 0.68 H new ATOM 827 N PRO A 55 4.560 -7.699 -5.277 1.00 0.55 N ATOM 828 CA PRO A 55 4.192 -6.292 -5.197 1.00 0.57 C ATOM 829 C PRO A 55 3.099 -5.892 -6.196 1.00 0.56 C ATOM 830 O PRO A 55 2.396 -4.911 -5.968 1.00 0.52 O ATOM 831 CB PRO A 55 5.497 -5.525 -5.447 1.00 0.66 C ATOM 832 CG PRO A 55 6.337 -6.497 -6.275 1.00 0.65 C ATOM 833 CD PRO A 55 5.947 -7.849 -5.678 1.00 0.59 C ATOM 0 HA PRO A 55 3.755 -6.062 -4.225 1.00 0.57 H new ATOM 0 HB2 PRO A 55 5.317 -4.594 -5.984 1.00 0.66 H new ATOM 0 HB3 PRO A 55 5.993 -5.263 -4.512 1.00 0.66 H new ATOM 0 HG2 PRO A 55 6.100 -6.437 -7.337 1.00 0.65 H new ATOM 0 HG3 PRO A 55 7.404 -6.300 -6.175 1.00 0.65 H new ATOM 0 HD2 PRO A 55 6.062 -8.650 -6.408 1.00 0.59 H new ATOM 0 HD3 PRO A 55 6.579 -8.101 -4.826 1.00 0.59 H new ATOM 841 N ARG A 56 2.964 -6.617 -7.314 1.00 0.66 N ATOM 842 CA ARG A 56 1.966 -6.312 -8.336 1.00 0.76 C ATOM 843 C ARG A 56 0.560 -6.258 -7.738 1.00 0.73 C ATOM 844 O ARG A 56 -0.153 -5.280 -7.947 1.00 0.76 O ATOM 845 CB ARG A 56 2.034 -7.338 -9.481 1.00 0.92 C ATOM 846 CG ARG A 56 2.890 -6.857 -10.659 1.00 1.49 C ATOM 847 CD ARG A 56 4.370 -6.676 -10.301 1.00 2.54 C ATOM 848 NE ARG A 56 5.125 -6.217 -11.478 1.00 3.31 N ATOM 849 CZ ARG A 56 6.455 -6.036 -11.524 1.00 4.65 C ATOM 850 NH1 ARG A 56 7.199 -6.294 -10.443 1.00 5.60 N ATOM 851 NH2 ARG A 56 7.032 -5.599 -12.651 1.00 5.61 N ATOM 0 H ARG A 56 3.543 -7.428 -7.531 1.00 0.66 H new ATOM 0 HA ARG A 56 2.192 -5.326 -8.743 1.00 0.76 H new ATOM 0 HB2 ARG A 56 2.441 -8.274 -9.100 1.00 0.92 H new ATOM 0 HB3 ARG A 56 1.025 -7.550 -9.834 1.00 0.92 H new ATOM 0 HG2 ARG A 56 2.806 -7.574 -11.476 1.00 1.49 H new ATOM 0 HG3 ARG A 56 2.493 -5.910 -11.024 1.00 1.49 H new ATOM 0 HD2 ARG A 56 4.470 -5.953 -9.491 1.00 2.54 H new ATOM 0 HD3 ARG A 56 4.782 -7.618 -9.940 1.00 2.54 H new ATOM 0 HE ARG A 56 4.595 -6.020 -12.327 1.00 3.31 H new ATOM 0 HH11 ARG A 56 6.756 -6.627 -9.587 1.00 5.60 H new ATOM 0 HH12 ARG A 56 8.209 -6.158 -10.475 1.00 5.60 H new ATOM 0 HH21 ARG A 56 6.461 -5.404 -13.474 1.00 5.61 H new ATOM 0 HH22 ARG A 56 8.042 -5.461 -12.687 1.00 5.61 H new ATOM 865 N ASP A 57 0.179 -7.306 -7.003 1.00 0.73 N ATOM 866 CA ASP A 57 -1.089 -7.415 -6.286 1.00 0.82 C ATOM 867 C ASP A 57 -1.410 -6.089 -5.590 1.00 0.68 C ATOM 868 O ASP A 57 -2.370 -5.400 -5.935 1.00 0.62 O ATOM 869 CB ASP A 57 -0.956 -8.582 -5.297 1.00 0.90 C ATOM 870 CG ASP A 57 -2.049 -8.607 -4.242 1.00 2.02 C ATOM 871 OD1 ASP A 57 -1.889 -7.875 -3.244 1.00 3.36 O ATOM 872 OD2 ASP A 57 -3.015 -9.385 -4.403 1.00 2.55 O ATOM 0 H ASP A 57 0.768 -8.131 -6.888 1.00 0.73 H new ATOM 0 HA ASP A 57 -1.919 -7.616 -6.963 1.00 0.82 H new ATOM 0 HB2 ASP A 57 -0.974 -9.521 -5.850 1.00 0.90 H new ATOM 0 HB3 ASP A 57 0.014 -8.521 -4.803 1.00 0.90 H new ATOM 877 N ILE A 58 -0.535 -5.698 -4.667 1.00 0.62 N ATOM 878 CA ILE A 58 -0.598 -4.440 -3.947 1.00 0.53 C ATOM 879 C ILE A 58 -0.741 -3.275 -4.913 1.00 0.44 C ATOM 880 O ILE A 58 -1.761 -2.593 -4.882 1.00 0.44 O ATOM 881 CB ILE A 58 0.621 -4.354 -3.017 1.00 0.56 C ATOM 882 CG1 ILE A 58 0.473 -5.395 -1.893 1.00 0.73 C ATOM 883 CG2 ILE A 58 0.815 -2.956 -2.427 1.00 0.62 C ATOM 884 CD1 ILE A 58 1.723 -6.264 -1.770 1.00 0.81 C ATOM 0 H ILE A 58 0.263 -6.272 -4.394 1.00 0.62 H new ATOM 0 HA ILE A 58 -1.487 -4.387 -3.318 1.00 0.53 H new ATOM 0 HB ILE A 58 1.510 -4.565 -3.611 1.00 0.56 H new ATOM 0 HG12 ILE A 58 0.287 -4.887 -0.947 1.00 0.73 H new ATOM 0 HG13 ILE A 58 -0.393 -6.027 -2.092 1.00 0.73 H new ATOM 0 HG21 ILE A 58 1.691 -2.953 -1.778 1.00 0.62 H new ATOM 0 HG22 ILE A 58 0.959 -2.237 -3.234 1.00 0.62 H new ATOM 0 HG23 ILE A 58 -0.066 -2.680 -1.848 1.00 0.62 H new ATOM 0 HD11 ILE A 58 1.585 -6.988 -0.967 1.00 0.81 H new ATOM 0 HD12 ILE A 58 1.894 -6.791 -2.709 1.00 0.81 H new ATOM 0 HD13 ILE A 58 2.584 -5.634 -1.546 1.00 0.81 H new ATOM 896 N ILE A 59 0.246 -3.037 -5.774 1.00 0.44 N ATOM 897 CA ILE A 59 0.236 -1.884 -6.665 1.00 0.46 C ATOM 898 C ILE A 59 -1.098 -1.773 -7.415 1.00 0.47 C ATOM 899 O ILE A 59 -1.679 -0.692 -7.497 1.00 0.48 O ATOM 900 CB ILE A 59 1.467 -1.952 -7.591 1.00 0.58 C ATOM 901 CG1 ILE A 59 2.735 -1.649 -6.767 1.00 0.81 C ATOM 902 CG2 ILE A 59 1.352 -0.989 -8.781 1.00 0.85 C ATOM 903 CD1 ILE A 59 4.026 -2.033 -7.497 1.00 1.32 C ATOM 0 H ILE A 59 1.068 -3.633 -5.872 1.00 0.44 H new ATOM 0 HA ILE A 59 0.313 -0.963 -6.088 1.00 0.46 H new ATOM 0 HB ILE A 59 1.526 -2.957 -8.008 1.00 0.58 H new ATOM 0 HG12 ILE A 59 2.761 -0.586 -6.528 1.00 0.81 H new ATOM 0 HG13 ILE A 59 2.685 -2.188 -5.821 1.00 0.81 H new ATOM 0 HG21 ILE A 59 2.242 -1.073 -9.404 1.00 0.85 H new ATOM 0 HG22 ILE A 59 0.471 -1.243 -9.371 1.00 0.85 H new ATOM 0 HG23 ILE A 59 1.261 0.033 -8.414 1.00 0.85 H new ATOM 0 HD11 ILE A 59 4.884 -1.796 -6.868 1.00 1.32 H new ATOM 0 HD12 ILE A 59 4.018 -3.101 -7.713 1.00 1.32 H new ATOM 0 HD13 ILE A 59 4.096 -1.475 -8.431 1.00 1.32 H new ATOM 915 N HIS A 60 -1.605 -2.897 -7.916 1.00 0.59 N ATOM 916 CA HIS A 60 -2.817 -2.932 -8.718 1.00 0.65 C ATOM 917 C HIS A 60 -4.063 -2.773 -7.851 1.00 0.63 C ATOM 918 O HIS A 60 -5.044 -2.172 -8.288 1.00 0.65 O ATOM 919 CB HIS A 60 -2.848 -4.187 -9.591 1.00 0.71 C ATOM 920 CG HIS A 60 -1.765 -4.163 -10.641 1.00 1.09 C ATOM 921 ND1 HIS A 60 -1.433 -3.087 -11.436 1.00 2.07 N ATOM 922 CD2 HIS A 60 -0.892 -5.177 -10.934 1.00 1.54 C ATOM 923 CE1 HIS A 60 -0.378 -3.450 -12.184 1.00 2.43 C ATOM 924 NE2 HIS A 60 -0.008 -4.715 -11.914 1.00 2.07 N ATOM 0 H HIS A 60 -1.180 -3.813 -7.774 1.00 0.59 H new ATOM 0 HA HIS A 60 -2.813 -2.078 -9.395 1.00 0.65 H new ATOM 0 HB2 HIS A 60 -2.727 -5.070 -8.963 1.00 0.71 H new ATOM 0 HB3 HIS A 60 -3.822 -4.270 -10.074 1.00 0.71 H new ATOM 0 HD1 HIS A 60 -1.902 -2.182 -11.453 1.00 2.07 H new ATOM 0 HD2 HIS A 60 -0.887 -6.160 -10.487 1.00 1.54 H new ATOM 0 HE1 HIS A 60 0.109 -2.811 -12.906 1.00 2.43 H new ATOM 932 N THR A 61 -4.034 -3.249 -6.606 1.00 0.63 N ATOM 933 CA THR A 61 -5.093 -2.928 -5.663 1.00 0.69 C ATOM 934 C THR A 61 -5.103 -1.420 -5.429 1.00 0.57 C ATOM 935 O THR A 61 -6.135 -0.778 -5.585 1.00 0.63 O ATOM 936 CB THR A 61 -4.938 -3.734 -4.365 1.00 0.80 C ATOM 937 OG1 THR A 61 -5.318 -5.061 -4.629 1.00 1.09 O ATOM 938 CG2 THR A 61 -5.849 -3.221 -3.248 1.00 1.16 C ATOM 0 H THR A 61 -3.298 -3.850 -6.235 1.00 0.63 H new ATOM 0 HA THR A 61 -6.061 -3.213 -6.075 1.00 0.69 H new ATOM 0 HB THR A 61 -3.901 -3.644 -4.040 1.00 0.80 H new ATOM 0 HG1 THR A 61 -4.583 -5.529 -5.077 1.00 1.09 H new ATOM 0 HG21 THR A 61 -5.701 -3.824 -2.352 1.00 1.16 H new ATOM 0 HG22 THR A 61 -5.606 -2.181 -3.029 1.00 1.16 H new ATOM 0 HG23 THR A 61 -6.889 -3.292 -3.566 1.00 1.16 H new ATOM 946 N ILE A 62 -3.958 -0.845 -5.064 1.00 0.48 N ATOM 947 CA ILE A 62 -3.843 0.572 -4.754 1.00 0.52 C ATOM 948 C ILE A 62 -4.339 1.416 -5.938 1.00 0.43 C ATOM 949 O ILE A 62 -5.152 2.320 -5.752 1.00 0.45 O ATOM 950 CB ILE A 62 -2.395 0.891 -4.346 1.00 0.67 C ATOM 951 CG1 ILE A 62 -1.897 0.077 -3.136 1.00 0.92 C ATOM 952 CG2 ILE A 62 -2.251 2.385 -4.049 1.00 0.91 C ATOM 953 CD1 ILE A 62 -2.555 0.465 -1.822 1.00 1.55 C ATOM 0 H ILE A 62 -3.080 -1.356 -4.976 1.00 0.48 H new ATOM 0 HA ILE A 62 -4.479 0.828 -3.907 1.00 0.52 H new ATOM 0 HB ILE A 62 -1.772 0.605 -5.194 1.00 0.67 H new ATOM 0 HG12 ILE A 62 -2.077 -0.982 -3.323 1.00 0.92 H new ATOM 0 HG13 ILE A 62 -0.819 0.205 -3.043 1.00 0.92 H new ATOM 0 HG21 ILE A 62 -1.222 2.601 -3.761 1.00 0.91 H new ATOM 0 HG22 ILE A 62 -2.507 2.959 -4.939 1.00 0.91 H new ATOM 0 HG23 ILE A 62 -2.921 2.660 -3.235 1.00 0.91 H new ATOM 0 HD11 ILE A 62 -2.153 -0.151 -1.018 1.00 1.55 H new ATOM 0 HD12 ILE A 62 -2.353 1.515 -1.610 1.00 1.55 H new ATOM 0 HD13 ILE A 62 -3.631 0.310 -1.894 1.00 1.55 H new ATOM 965 N GLU A 63 -3.876 1.084 -7.147 1.00 0.41 N ATOM 966 CA GLU A 63 -4.370 1.614 -8.404 1.00 0.49 C ATOM 967 C GLU A 63 -5.905 1.521 -8.440 1.00 0.54 C ATOM 968 O GLU A 63 -6.598 2.537 -8.411 1.00 0.64 O ATOM 969 CB GLU A 63 -3.678 0.796 -9.505 1.00 0.60 C ATOM 970 CG GLU A 63 -4.019 1.195 -10.938 1.00 0.85 C ATOM 971 CD GLU A 63 -3.392 0.247 -11.963 1.00 1.59 C ATOM 972 OE1 GLU A 63 -2.632 -0.656 -11.544 1.00 2.65 O ATOM 973 OE2 GLU A 63 -3.699 0.432 -13.159 1.00 2.44 O ATOM 0 H GLU A 63 -3.118 0.413 -7.273 1.00 0.41 H new ATOM 0 HA GLU A 63 -4.142 2.671 -8.543 1.00 0.49 H new ATOM 0 HB2 GLU A 63 -2.600 0.879 -9.371 1.00 0.60 H new ATOM 0 HB3 GLU A 63 -3.936 -0.254 -9.368 1.00 0.60 H new ATOM 0 HG2 GLU A 63 -5.102 1.201 -11.065 1.00 0.85 H new ATOM 0 HG3 GLU A 63 -3.671 2.211 -11.124 1.00 0.85 H new ATOM 980 N SER A 64 -6.431 0.291 -8.469 1.00 0.53 N ATOM 981 CA SER A 64 -7.850 -0.020 -8.620 1.00 0.60 C ATOM 982 C SER A 64 -8.729 0.734 -7.614 1.00 0.52 C ATOM 983 O SER A 64 -9.781 1.261 -7.970 1.00 0.55 O ATOM 984 CB SER A 64 -8.033 -1.538 -8.509 1.00 0.73 C ATOM 985 OG SER A 64 -9.378 -1.918 -8.723 1.00 1.19 O ATOM 0 H SER A 64 -5.853 -0.545 -8.384 1.00 0.53 H new ATOM 0 HA SER A 64 -8.180 0.318 -9.603 1.00 0.60 H new ATOM 0 HB2 SER A 64 -7.393 -2.036 -9.238 1.00 0.73 H new ATOM 0 HB3 SER A 64 -7.713 -1.872 -7.522 1.00 0.73 H new ATOM 0 HG SER A 64 -9.459 -2.892 -8.647 1.00 1.19 H new ATOM 991 N LEU A 65 -8.297 0.806 -6.352 1.00 0.52 N ATOM 992 CA LEU A 65 -9.033 1.490 -5.294 1.00 0.55 C ATOM 993 C LEU A 65 -9.161 2.997 -5.543 1.00 0.58 C ATOM 994 O LEU A 65 -9.980 3.638 -4.887 1.00 0.70 O ATOM 995 CB LEU A 65 -8.369 1.232 -3.935 1.00 0.64 C ATOM 996 CG LEU A 65 -8.442 -0.227 -3.457 1.00 0.92 C ATOM 997 CD1 LEU A 65 -7.501 -0.373 -2.257 1.00 1.79 C ATOM 998 CD2 LEU A 65 -9.852 -0.670 -3.049 1.00 1.67 C ATOM 0 H LEU A 65 -7.421 0.388 -6.037 1.00 0.52 H new ATOM 0 HA LEU A 65 -10.043 1.080 -5.292 1.00 0.55 H new ATOM 0 HB2 LEU A 65 -7.322 1.530 -3.994 1.00 0.64 H new ATOM 0 HB3 LEU A 65 -8.840 1.870 -3.187 1.00 0.64 H new ATOM 0 HG LEU A 65 -8.151 -0.865 -4.291 1.00 0.92 H new ATOM 0 HD11 LEU A 65 -7.531 -1.400 -1.894 1.00 1.79 H new ATOM 0 HD12 LEU A 65 -6.484 -0.125 -2.560 1.00 1.79 H new ATOM 0 HD13 LEU A 65 -7.818 0.302 -1.462 1.00 1.79 H new ATOM 0 HD21 LEU A 65 -9.827 -1.710 -2.723 1.00 1.67 H new ATOM 0 HD22 LEU A 65 -10.209 -0.042 -2.232 1.00 1.67 H new ATOM 0 HD23 LEU A 65 -10.525 -0.573 -3.901 1.00 1.67 H new ATOM 1010 N GLY A 66 -8.377 3.554 -6.472 1.00 0.60 N ATOM 1011 CA GLY A 66 -8.496 4.932 -6.919 1.00 0.62 C ATOM 1012 C GLY A 66 -7.407 5.796 -6.299 1.00 0.52 C ATOM 1013 O GLY A 66 -7.687 6.890 -5.810 1.00 0.60 O ATOM 0 H GLY A 66 -7.628 3.043 -6.940 1.00 0.60 H new ATOM 0 HA2 GLY A 66 -8.425 4.974 -8.006 1.00 0.62 H new ATOM 0 HA3 GLY A 66 -9.476 5.324 -6.648 1.00 0.62 H new ATOM 1017 N PHE A 67 -6.163 5.315 -6.346 1.00 0.47 N ATOM 1018 CA PHE A 67 -4.991 6.039 -5.876 1.00 0.46 C ATOM 1019 C PHE A 67 -3.876 5.887 -6.902 1.00 0.52 C ATOM 1020 O PHE A 67 -3.991 5.073 -7.813 1.00 0.70 O ATOM 1021 CB PHE A 67 -4.562 5.495 -4.511 1.00 0.53 C ATOM 1022 CG PHE A 67 -5.637 5.585 -3.452 1.00 0.49 C ATOM 1023 CD1 PHE A 67 -6.044 6.849 -2.997 1.00 1.90 C ATOM 1024 CD2 PHE A 67 -6.347 4.437 -3.063 1.00 2.02 C ATOM 1025 CE1 PHE A 67 -7.183 6.973 -2.184 1.00 1.94 C ATOM 1026 CE2 PHE A 67 -7.452 4.555 -2.203 1.00 1.97 C ATOM 1027 CZ PHE A 67 -7.865 5.823 -1.755 1.00 0.48 C ATOM 0 H PHE A 67 -5.943 4.392 -6.720 1.00 0.47 H new ATOM 0 HA PHE A 67 -5.221 7.098 -5.759 1.00 0.46 H new ATOM 0 HB2 PHE A 67 -4.263 4.453 -4.624 1.00 0.53 H new ATOM 0 HB3 PHE A 67 -3.684 6.044 -4.171 1.00 0.53 H new ATOM 0 HD1 PHE A 67 -5.480 7.728 -3.273 1.00 1.90 H new ATOM 0 HD2 PHE A 67 -6.044 3.465 -3.424 1.00 2.02 H new ATOM 0 HE1 PHE A 67 -7.533 7.951 -1.889 1.00 1.94 H new ATOM 0 HE2 PHE A 67 -7.985 3.671 -1.885 1.00 1.97 H new ATOM 0 HZ PHE A 67 -8.705 5.912 -1.082 1.00 0.48 H new ATOM 1037 N GLU A 68 -2.808 6.675 -6.750 1.00 0.51 N ATOM 1038 CA GLU A 68 -1.710 6.756 -7.704 1.00 0.59 C ATOM 1039 C GLU A 68 -0.406 6.294 -7.055 1.00 0.60 C ATOM 1040 O GLU A 68 0.262 7.129 -6.442 1.00 0.76 O ATOM 1041 CB GLU A 68 -1.655 8.206 -8.230 1.00 0.82 C ATOM 1042 CG GLU A 68 -0.448 8.548 -9.117 1.00 1.80 C ATOM 1043 CD GLU A 68 -0.266 7.565 -10.262 1.00 3.07 C ATOM 1044 OE1 GLU A 68 0.244 6.463 -9.969 1.00 4.40 O ATOM 1045 OE2 GLU A 68 -0.638 7.936 -11.395 1.00 3.82 O ATOM 0 H GLU A 68 -2.685 7.285 -5.942 1.00 0.51 H new ATOM 0 HA GLU A 68 -1.865 6.089 -8.552 1.00 0.59 H new ATOM 0 HB2 GLU A 68 -2.566 8.402 -8.796 1.00 0.82 H new ATOM 0 HB3 GLU A 68 -1.658 8.883 -7.376 1.00 0.82 H new ATOM 0 HG2 GLU A 68 -0.572 9.552 -9.522 1.00 1.80 H new ATOM 0 HG3 GLU A 68 0.455 8.560 -8.506 1.00 1.80 H new ATOM 1052 N PRO A 69 -0.072 4.987 -7.097 1.00 0.60 N ATOM 1053 CA PRO A 69 1.110 4.447 -6.447 1.00 0.70 C ATOM 1054 C PRO A 69 2.347 4.555 -7.336 1.00 0.78 C ATOM 1055 O PRO A 69 2.527 3.785 -8.279 1.00 1.12 O ATOM 1056 CB PRO A 69 0.771 2.992 -6.129 1.00 0.69 C ATOM 1057 CG PRO A 69 -0.183 2.587 -7.245 1.00 0.61 C ATOM 1058 CD PRO A 69 -0.902 3.896 -7.601 1.00 0.62 C ATOM 0 HA PRO A 69 1.357 5.007 -5.545 1.00 0.70 H new ATOM 0 HB2 PRO A 69 1.664 2.366 -6.120 1.00 0.69 H new ATOM 0 HB3 PRO A 69 0.304 2.895 -5.149 1.00 0.69 H new ATOM 0 HG2 PRO A 69 0.353 2.179 -8.102 1.00 0.61 H new ATOM 0 HG3 PRO A 69 -0.885 1.822 -6.914 1.00 0.61 H new ATOM 0 HD2 PRO A 69 -1.038 3.981 -8.679 1.00 0.62 H new ATOM 0 HD3 PRO A 69 -1.894 3.926 -7.151 1.00 0.62 H new ATOM 1066 N SER A 70 3.262 5.450 -6.962 1.00 0.79 N ATOM 1067 CA SER A 70 4.654 5.352 -7.359 1.00 0.76 C ATOM 1068 C SER A 70 5.318 4.201 -6.587 1.00 0.90 C ATOM 1069 O SER A 70 4.656 3.361 -5.980 1.00 2.13 O ATOM 1070 CB SER A 70 5.353 6.695 -7.103 1.00 1.11 C ATOM 1071 OG SER A 70 6.626 6.733 -7.728 1.00 2.68 O ATOM 0 H SER A 70 3.053 6.259 -6.377 1.00 0.79 H new ATOM 0 HA SER A 70 4.736 5.134 -8.424 1.00 0.76 H new ATOM 0 HB2 SER A 70 4.734 7.509 -7.481 1.00 1.11 H new ATOM 0 HB3 SER A 70 5.466 6.852 -6.030 1.00 1.11 H new ATOM 0 HG SER A 70 7.051 7.598 -7.552 1.00 2.68 H new ATOM 1077 N LEU A 71 6.648 4.166 -6.617 1.00 0.82 N ATOM 1078 CA LEU A 71 7.456 3.093 -6.055 1.00 0.85 C ATOM 1079 C LEU A 71 8.089 3.529 -4.726 1.00 1.50 C ATOM 1080 O LEU A 71 7.639 4.496 -4.100 1.00 2.69 O ATOM 1081 CB LEU A 71 8.486 2.653 -7.114 1.00 1.26 C ATOM 1082 CG LEU A 71 9.455 3.776 -7.535 1.00 2.79 C ATOM 1083 CD1 LEU A 71 10.890 3.245 -7.603 1.00 3.51 C ATOM 1084 CD2 LEU A 71 9.074 4.345 -8.908 1.00 4.33 C ATOM 0 H LEU A 71 7.206 4.905 -7.045 1.00 0.82 H new ATOM 0 HA LEU A 71 6.838 2.229 -5.811 1.00 0.85 H new ATOM 0 HB2 LEU A 71 9.062 1.815 -6.722 1.00 1.26 H new ATOM 0 HB3 LEU A 71 7.957 2.291 -7.996 1.00 1.26 H new ATOM 0 HG LEU A 71 9.388 4.566 -6.787 1.00 2.79 H new ATOM 0 HD11 LEU A 71 11.562 4.050 -7.902 1.00 3.51 H new ATOM 0 HD12 LEU A 71 11.186 2.870 -6.623 1.00 3.51 H new ATOM 0 HD13 LEU A 71 10.945 2.437 -8.333 1.00 3.51 H new ATOM 0 HD21 LEU A 71 9.773 5.135 -9.181 1.00 4.33 H new ATOM 0 HD22 LEU A 71 9.114 3.552 -9.654 1.00 4.33 H new ATOM 0 HD23 LEU A 71 8.064 4.753 -8.865 1.00 4.33 H new